| SpectraBase Spectrum ID |
50Mx3tEr3xS |
| Name |
1,3-propanediamine, N~1~-(6-nitro-2-benzothiazolyl)-N~3~-[2-nitro-4-(trifluoromethyl)phenyl]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.071859610 u |
| Formula |
C17H14F3N5O4S |
| InChI |
InChI=1S/C17H14F3N5O4S/c18-17(19,20)10-2-4-12(14(8-10)25(28)29)21-6-1-7-22-16-23-13-5-3-11(24(26)27)9-15(13)30-16/h2-5,8-9,21H,1,6-7H2,(H,22,23) |
| InChIKey |
DEEBWAGCXUXKRT-UHFFFAOYSA-N |
| Molecular Weight |
441.385 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_12193 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10271700; Lab Info: LP; Lab Number: LP-2501404 |
![1,3-propanediamine, N~1~-(6-nitro-2-benzothiazolyl)-N~3~-[2-nitro-4-(trifluoromethyl)phenyl]-](/api/spectrum/50Mx3tEr3xS/structure.png?h=300&w=458 "1,3-propanediamine, N~1~-(6-nitro-2-benzothiazolyl)-N~3~-[2-nitro-4-(trifluoromethyl)phenyl]-")
